3-indazol-1-ylpropyl-[[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: 3-indazol-1-ylpropyl-[[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: [(3S)-3-hydroxy-1-methyl-2-oxo-3-piperidyl]methyl-(3-indazol-1-ylpropyl)ammonium CAS Name: [(3S)-3-hydroxy-1-methyl-2-oxo-3-piperidinyl]methyl-[3-(1-indazolyl)propyl]ammonium IUPAC Name: [(3S)-3-hydroxy-1-methyl-2-oxopiperidin-3-yl]methyl-(3-indazol-1-ylpropyl)azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-methyl-3-piperidyl]methyl-(3-indazol-1-ylpropyl)ammonium Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1=O)(C[NH2+]CCCN2C3=CC=CC=C3C=N2)O

Isomeric SMILES

CN1CCC[C@@](C1=O)(C[NH2+]CCCN2C3=CC=CC=C3C=N2)O

InChI

InChI=1S/C17H24N4O2/c1-20-10-4-8-17(23,16(20)22)13-18-9-5-11-21-15-7-3-2-6-14(15)12-19-21/h2-3,6-7,12,18,23H,4-5,8-11,13H2,1H3/p+1/t17-/m0/s1